N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide

C31H37N3O — CID 16985842

IUPACN-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
SMILESCCCCCCCn1c(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C31H37N3O/c1-2-3-4-5-11-23-34-29-16-10-9-15-28(29)33-30(34)17-12-22-32-31(35)24-25-18-20-27(21-19-25)26-13-7-6-8-14-26/h6-10,13-16,18-21H,2-5,11-12,17,22-24H2,1H3,(H,32,35)
InChIKeyLRNAFEAUQOPHMO-UHFFFAOYSA-N
MW467.66 g/mol
LogP6.97
Rot. Bonds13

About N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide

N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16985842) has the molecular formula C31H37N3O and a molecular weight of 467.66 g/mol. Its IUPAC name is N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
PubChem CID16985842
Molecular FormulaC31H37N3O
Molecular Weight467.66 g/mol
Exact Mass467.29
IUPAC NameN-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
SMILESCCCCCCCn1c(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C31H37N3O/c1-2-3-4-5-11-23-34-29-16-10-9-15-28(29)33-30(34)17-12-22-32-31(35)24-25-18-20-27(21-19-25)26-13-7-6-8-14-26/h6-10,13-16,18-21H,2-5,11-12,17,22-24H2,1H3,(H,32,35)
InChIKeyLRNAFEAUQOPHMO-UHFFFAOYSA-N
XLogP6.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.66
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985848
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994305
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16979893
N-[2-(1-nonylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16979890
2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide
CID 16985517
2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide
CID 16985520
N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
CID 16993325
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985850
2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide
CID 16979402
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
N-[3-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985950

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide (CID 16985842) is N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide is CCCCCCCn1c(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is LRNAFEAUQOPHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O/c1-2-3-4-5-11-23-34-29-16-10-9-15-28(29)33-30(34)17-12-22-32-31(35)24-25-18-20-27(21-19-25)26-13-7-6-8-14-26/h6-10,13-16,18-21H,2-5,11-12,17,22-24H2,1H3,(H,32,35).
What are the key properties of N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide?
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 467.66 g/mol, XLogP of 6.97, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16985842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).